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MMsINC code: MMs03264932

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

O(CCN(C)C)c1ccc(cc1)\C=C\c1ncccc1

InChI:

InChI=1/C17H20N2O/c1-19(2)13-14-20-17-10-7-15(8-11-17)6-9-16-5-3-4-12-18-16/h3-12H,13-14H2,1-2H3/b9-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8823 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -2.47521	SlogP: 3.1924	Reactive groups: 0

Topological Properties
Globularity: 0.0239074	Sterimol/B1: 2.41968	Sterimol/B2: 2.82278	Sterimol/B3: 4.55723
Sterimol/B4: 5.45012	Sterimol/L: 19.2088

Surface and Volume Properties
Accessible surface: 566.136	Positive charged surface: 410.589	Negative charged surface: 155.548	Volume: 289.5
Hydrophobic surface: 546.143	Hydrophilic surface: 19.993

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03264933
PUBCHEM-ZINC05422921